2-Amino-4-chlorobenzonitrile

C₇H₅ClN₂CAS 38487-86-4152.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
Melting point: 161 °C
logP: 1.79Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed10.6% of notifiers
H311 Toxic in contact with skin10.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.8% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38487-86-4

SMILES

N#Cc1ccc(Cl)cc1N

InChIKey

UZHALXIAWJOLLR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzonitrile, 2-amino-4-chloro-
Anthranilonitrile, 4-chloro-
5-Chloro-2-cyanoaniline
4-Chloroanthranilonitrile
4-Chloro-2-aminobenzonitrile

Work with 2-Amino-4-chlorobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-chlorobenzonitrile5922-60-172 % similar 2,4-Dichlorobenzonitrile6574-98-760 % similar 2-Amino-4-methylbenzonitrile26830-96-656 % similar 4-Chloro-2-methylbenzonitrile50712-68-056 % similar 2-Bromo-4-chlorobenzonitrile57381-49-456 % similar 4-Chloro-2-fluorobenzonitrile57381-51-856 % similar 2,5-Dichlorobenzonitrile21663-61-655 % similar 4-Chloro-1,2-phenylenediamine95-83-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9

Elsewhere

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